Dear Ye, On Mon, 28 Feb 2005 yetao@chem.uga.edu wrote:
Is there anyone who can tell me how to view the residual in Artemis? Every time I checked the residual, only got the data curve.
Plotting the residual in Artemis works for me. Just for completeness, first you have toset up a model and then hit the Fit button to run the fit and get a residual. The Data set should then have a Tree that looks like this: (sorry for the bad ASCII art) . [-] data group . |- Fit . |- Residual . [-] Feff 0 . |- feff0001.dat You can then highlight which of these you want to plot (the default is to show highlighted choices in orange). You can use Ctrl-click to select more than one of these (to plot data and Fit and Residual, for example). Then hit one of the Plot buttons below to show what is highlighted. Is that not working for you? If the residual looks just like the data, maybe that's because the Fit = 0 for all k,R??? That might mean that no fit was done, no paths were defined, or that the amplitudes ended up being zero.... Hope that helps. If not, let us know, --Matt